General Information of the Compound
| Compound ID |
CP0456889
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| Compound Name |
4-[4-(phenethylamino-methyl)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C26H31N3O4S
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| Molecular Weight |
481.618
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H31N3O4S/c1-2-33-26(30)29-18-15-21(16-19-29)28-34(31,32)25-13-12-24(22-10-6-7-11-23(22)25)27-17-14-20-8-4-3-5-9-20/h3-13,21,27-28H,2,14-19H2,1H3
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| InChIKey |
OZXMILCMXGZYIW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound